3-tert-Butylthiophene
TL;DR: 3-tert-Butylthiophene (CAS 1689-79-8) is a chemical compound with molecular formula CC(C)(C)C1=CSC=C1 and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylthiophene
Also Known As: 3-tert-Butylthiophene, 3-t-butylthiophene, Thiophene, 3-tert-butyl-, Thiophene, 3-(1,1-dimethylethyl)-, 3-(1,1-dimethylethyl) Thiophene
| Molecular Formula | CC(C)(C)C1=CSC=C1 |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.06598 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 1689-79-8 |
|---|---|
| SMILES | CC(C)(C)C1=CSC=C1 |
| InChIKey | LZDPZKBVRTYUMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-tert-Butylthiophene (CAS 1689-79-8), with molecular formula CC(C)(C)C1=CSC=C1 and molecular weight 140.07 g/mol. IUPAC: 3-tert-butylthiophene.
Chemical Property Profile of 3-tert-Butylthiophene
Property Insights of 3-tert-Butylthiophene
The XLogP value of 3.3 indicates that 3-tert-Butylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-tert-Butylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-tert-Butylthiophene?
The CAS number of 3-tert-Butylthiophene is 1689-79-8.
What is the molecular formula of 3-tert-Butylthiophene?
The molecular formula of 3-tert-Butylthiophene is CC(C)(C)C1=CSC=C1.
What is the molecular weight of 3-tert-Butylthiophene?
The molecular weight of 3-tert-Butylthiophene is 140.07 g/mol.
Where can I buy 3-tert-Butylthiophene?
You can request a quote for 3-tert-Butylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.